using CrystFEL dtempl = loaddatatemplate("input.geom") cell = UnitCell(OrthorhombicLattice, PrimitiveCell, 40.0, 50.0, 60.0) full = loadreflist("input.hkl") let st = Stream("partials.stream", "w", dtempl) for i in 1:10 println("Writing image ", i) image = Image(dtempl) image.serial = i image.filename = "simulation_" * string(i) image.ev = "//" cr = Crystal(rotatecell(cell)) reflections = predictreflections(cr, image) calculatepartialities!(reflections, cr, image, model=XSphereModel) for refl in reflections f = full[asymmetricindices(full.symmetry, refl.indices...)...] if f !== nothing refl.intensity = f.intensity * refl.partiality * refl.lorentzfactor else # No matching "full" intensity - can't do anything # Reflections with zero measurements won't be written to file refl.nmeasurements = 0 println("Not found: ", refl.indices) end end push!(image, cr, reflections) chunkwrite(st, image) end end